-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.0125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4958   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  9  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID> (BBL000076)
BBL000076

>  <Rotatable_Bonds> (BBL000076)
2

>  <logP> (BBL000076)
1.143

>  <PSA> (BBL000076)
55.12

>  <H_Donors> (BBL000076)
3

>  <H_Acceptors> (BBL000076)
1

>  <Number_of_rings> (BBL000076)
1

>  <NAME> (BBL000076)
N-(4-aminophenyl)butanamide

>  <Mol_Weight> (BBL000076)
178.23

>  <Mol_Formula> (BBL000076)
C10H14N2O

>  <Smiles> (BBL000076)
CCCC(=O)Nc1ccc(cc1)N

>  <CAS_Number> (BBL000076)
116884-02-7

>  <Alternative_identifier> (BBL000076)
MFCD02063077

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